Geometry & MOs

Info

ID:	110517
PubChem CID:	50328400
Reduced:	BrO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-144.11
Dipole, Da:	7.04
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)Br)C(=O)N

DOS

IR

Vibrations